SCHEMBL577389

SCHEMBL577389

NCC[CH]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTR2A P28223 4/20 0.40
TAAR1 Q96RJ0 3/20 0.40
LOXL2 Q9Y4K0 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAOB P27338 2/20 0.38
TSHR P16473 1/20 0.38
MAOA P21397 2/20 0.37
HRH1 P35367 2/20 0.37
CYP19A1 P11511 1/20 0.37
IDO1 P14902 2/20 0.37
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHAT P28329 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5329192 0.83 MAOA (0.46) CYP2A6ALDH1A1HTR2ATAAR1LOXL2
SCHEMBL8668115 0.81 MAOA (0.45) CYP2A6ALDH1A1HTR2ATAAR1LOXL2
SCHEMBL5999151 0.79 ALDH1A1 (0.43) CYP2A6ALDH1A1MAOBTSHRMAOA
SCHEMBL8154332 0.78 ALDH1A1 (0.48) CYP2A6ALDH1A1MAOBTSHRMAOA
SCHEMBL787443 0.78
SCHEMBL4997007 0.75 HSD17B10 (0.48) CYP2A6HTR2ATAAR1MAOBTSHR
SCHEMBL1536706 0.75 IDO1 (0.54) HTR2AMAOBMAOACYP19A1IDO1
SCHEMBL1829198 0.75 IDO1 (0.54) HTR2AMAOBMAOACYP19A1IDO1
SCHEMBL3650173 0.75 TAAR1 (0.44) HTR2ATAAR1LOXL2MAOB
SCHEMBL5682418 0.75 IDO1 (0.54) HTR2AMAOBMAOACYP19A1IDO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 276 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108431298-B Copper or copper alloy article containing surface-modified polyester resin and method for producing same 株式会社新技术研究所 2019-06-21 CN claimed
CN-106145148-B A method of preparing multi-stage porous Titanium Sieve Molecular Sieve 中国石油化工股份有限公司 2019-04-16 CN claimed
CN-109369613-A A kind of diamine compounds being used to prepare aligning agent for liquid crystal and its application 中节能万润股份有限公司 2019-02-22 CN claimed
CN-105315886-B Hybrid coating and relevant applying method 波音公司 2018-12-07 CN claimed
CN-108068419-A A kind of lignin modified asphalt waterproof roll and preparation method thereof 广西武宣金牌防水材料科技有限公司 2018-05-25 CN claimed
CN-105461930-B A kind of antifouling coating composition and its preparation and the application in low-surface-energy anti-fouling paint 上海华谊精细化工有限公司 2018-05-11 CN claimed
CN-107987726-A A kind of pitch mildewproof waterproof coating and its production method for bridge construction 广西武宣金牌防水材料科技有限公司 2018-05-04 CN claimed
CN-105801865-B A kind of phosphorus-nitrogen containing cage modle polysilsesquioxane and preparation method thereof 合肥学院 2018-04-24 CN claimed
CN-107360718-A Antireflection film and method for producing same 株式会社LG化学 2017-11-17 CN claimed
CN-107254132-A A kind of stable type acrylic diamond and preparation method thereof 苍南县通普工艺礼品有限公司 2017-10-17 CN claimed
CN-107177250-A A kind of environment protective nano-paint and preparation method thereof 龚大秀 2017-09-19 CN claimed
CN-107163467-A A kind of acrylic diamond of strong printing opacity and preparation method thereof 苍南县通普工艺礼品有限公司 2017-09-15 CN claimed
CN-107129651-A Strong acrylic diamond of a kind of stability and preparation method thereof 苍南县通普工艺礼品有限公司 2017-09-05 CN claimed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US claimed
CN-1950477-B Two-component adhesive/sealant HENKEL AG & CO KGAA 2011-01-19 CN claimed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 WO claimed
CN-1950477-A Two-component adhesive/sealant HENKEL KGAA (DE) 2007-04-18 CN claimed
US-6686373-B2 ANALGESICS; ANTIINFLAMMATORY AGENT WARNER-LAMBERT COMPANY LLC 2004-02-03 US claimed
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors KAWAMURA KIYOSHI (JP) 2003-07-10 US claimed
EP-1310498-A2 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PFIZER INC. (US) 2003-05-14 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030130277-A1 Pyrazoloquinolinone derivatives as protein kinase C inhibitors PRKCB, PRKCA, PRKCG CYP2A6 3310/4885ALDH1A1 3069/4885HTR2A 1518/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR CYP2A6 684/4885ALDH1A1 245/4885HTR2A 3556/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.